Vibration-based biomimetic odor classification

Abstract Olfaction is not as well-understood as vision or audition, nor technologically addressed. Here, Chemical Graph Theory is shown to connect the vibrational spectrum of an odorant molecule, invoked in the Vibration Theory of Olfaction, to its structure, which is germane to the orthodox Shape T...

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Autores principales:	Nidhi Pandey, Debasattam Pal, Dipankar Saha, Swaroop Ganguly
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/070d2630f63e464eb15c0bdb8c34f5b5
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id	oai:doaj.org-article:070d2630f63e464eb15c0bdb8c34f5b5
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spelling	oai:doaj.org-article:070d2630f63e464eb15c0bdb8c34f5b52021-12-02T15:57:04ZVibration-based biomimetic odor classification10.1038/s41598-021-90592-x2045-2322https://doaj.org/article/070d2630f63e464eb15c0bdb8c34f5b52021-05-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-90592-xhttps://doaj.org/toc/2045-2322Abstract Olfaction is not as well-understood as vision or audition, nor technologically addressed. Here, Chemical Graph Theory is shown to connect the vibrational spectrum of an odorant molecule, invoked in the Vibration Theory of Olfaction, to its structure, which is germane to the orthodox Shape Theory. Atomistic simulations yield the Eigen-VAlue (EVA) vibrational pseudo-spectra for 20 odorant molecules grouped into 6 different ‘perceptual’ classes by odour. The EVA is decomposed into peaks corresponding to different types of vibrational modes. A novel secondary pseudo-spectrum, informed by this physical insight—the Peak-Decomposed EVA (PD-EVA)—has been proposed here. Unsupervised Machine Learning (spectral clustering), applied to the PD-EVA, clusters the odours into different ‘physical’ (vibrational) classes that match the ‘perceptual’, and also reveal inherent perceptual subclasses. This establishes a physical basis for vibration-based odour classification, harmonizes the Shape and Vibration theories, and points to vibration-based sensing as a promising path towards a biomimetic electronic nose.Nidhi PandeyDebasattam PalDipankar SahaSwaroop GangulyNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Nidhi Pandey Debasattam Pal Dipankar Saha Swaroop Ganguly Vibration-based biomimetic odor classification
description	Abstract Olfaction is not as well-understood as vision or audition, nor technologically addressed. Here, Chemical Graph Theory is shown to connect the vibrational spectrum of an odorant molecule, invoked in the Vibration Theory of Olfaction, to its structure, which is germane to the orthodox Shape Theory. Atomistic simulations yield the Eigen-VAlue (EVA) vibrational pseudo-spectra for 20 odorant molecules grouped into 6 different ‘perceptual’ classes by odour. The EVA is decomposed into peaks corresponding to different types of vibrational modes. A novel secondary pseudo-spectrum, informed by this physical insight—the Peak-Decomposed EVA (PD-EVA)—has been proposed here. Unsupervised Machine Learning (spectral clustering), applied to the PD-EVA, clusters the odours into different ‘physical’ (vibrational) classes that match the ‘perceptual’, and also reveal inherent perceptual subclasses. This establishes a physical basis for vibration-based odour classification, harmonizes the Shape and Vibration theories, and points to vibration-based sensing as a promising path towards a biomimetic electronic nose.
format	article
author	Nidhi Pandey Debasattam Pal Dipankar Saha Swaroop Ganguly
author_facet	Nidhi Pandey Debasattam Pal Dipankar Saha Swaroop Ganguly
author_sort	Nidhi Pandey
title	Vibration-based biomimetic odor classification
title_short	Vibration-based biomimetic odor classification
title_full	Vibration-based biomimetic odor classification
title_fullStr	Vibration-based biomimetic odor classification
title_full_unstemmed	Vibration-based biomimetic odor classification
title_sort	vibration-based biomimetic odor classification
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/070d2630f63e464eb15c0bdb8c34f5b5
work_keys_str_mv	AT nidhipandey vibrationbasedbiomimeticodorclassification AT debasattampal vibrationbasedbiomimeticodorclassification AT dipankarsaha vibrationbasedbiomimeticodorclassification AT swaroopganguly vibrationbasedbiomimeticodorclassification
_version_	1718385310612586496

Vibration-based biomimetic odor classification

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